UCSF

ZINC44683895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 7.33 -39.67 2 2 1 20 245.39 5
Lo Low (pH 4.5-6) 2.93 9.74 -110.56 3 2 2 21 246.398 5
Lo Low (pH 4.5-6) 2.93 8.54 -31.13 2 2 1 16 245.39 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )